Chemical ID: 4260112

c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
Chemical ID:
4260112
Name [?]:
2-[4-[(2-amino-4-hydroxy-pteridin-6-yl)methylamino]benzoyl]aminopentanedioic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N7O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.6451
Area:694.33
Solvation:-6.71318
Coulombic:-140.274
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:441.398
H-Bond Donors:7
H-Bond Acceptors:9
XLogP:-0.17
LogP (Chemaxon):-0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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